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CAS 6401-00-9 2,2,3,3,3-PENTAFLUOROPROPYL TRIFLUOROMETHANESULFONATE molecular structure lightbox
CAS RN: 6401-00-9

2,2,3,3,3-PENTAFLUOROPROPYL TRIFLUOROMETHANESULFONATE

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260326 100g Out of stock Inquiry
Batchno.20250211 10g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260507 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250912 25g In stock Shanghai Inquiry
Batchno.20260414 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS6401-00-9
  • Purity/Analytical Methods: >99.0%
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6401-00-9 / 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate

Standard CAS: 6401-00-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6401-00-9
Multi CAS
No
Molecular Formula
C4F8H2O3S
Molecular Weight
282.110000
Exact Mass
281.959690
InChI
InChI=1S/C4H2F8O3S/c5-2(6,3(7,8)9)1-15-16(13,14)4(10,11)12/h1H2
InChIKey
QHZUUSNAUOEJBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
31.93
TPSA
43.37

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
2.6
Consensus LogP
2.15
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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